(1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane

C18H24Br2O2 — CID 161226581

IUPAC(1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane
SMILESC.C.CC(=O)c1ccccc1Br.C[C@@H](O)c1ccccc1Br
InChIInChI=1S/C8H9BrO.C8H7BrO.2CH4/c2*1-6(10)7-4-2-3-5-8(7)9;;/h2-6,10H,1H3;2-5H,1H3;2*1H4/t6-;;;/m1.../s1
InChIKeyUYFAJYFFPLQSHZ-VMESQJNGSA-N
MW432.20 g/mol
LogP6.43
Rot. Bonds2

About (1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane

(1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane (PubChem CID 161226581) has the molecular formula C18H24Br2O2 and a molecular weight of 432.20 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane
PubChem CID161226581
Molecular FormulaC18H24Br2O2
Molecular Weight432.20 g/mol
Exact Mass430.01
IUPAC Name(1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane
SMILESC.C.CC(=O)c1ccccc1Br.C[C@@H](O)c1ccccc1Br
InChIInChI=1S/C8H9BrO.C8H7BrO.2CH4/c2*1-6(10)7-4-2-3-5-8(7)9;;/h2-6,10H,1H3;2-5H,1H3;2*1H4/t6-;;;/m1.../s1
InChIKeyUYFAJYFFPLQSHZ-VMESQJNGSA-N
XLogP6.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.20
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
3-(2-acetylphenyl)butan-2-one
CID 171562891
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-(2-bromophenyl)-1-hydroxybutane-2,3-dione
CID 69126209
1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one
CID 135007088
[(1S)-1-(2-bromophenyl)ethyl] acetate
CID 130609094
N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide
CID 177471162
1-(2-bromophenyl)-2,2-dihydroxyethanone
CID 14046171
3,5-bis(2-bromophenyl)-2,6-dimethylheptan-4-one
CID 141224766
1-amino-1-(2-bromophenyl)propan-2-one
CID 116859743

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane?
The IUPAC name of (1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane (CID 161226581) is (1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane.
What is the SMILES notation for (1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane?
The canonical SMILES for (1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane is C.C.CC(=O)c1ccccc1Br.C[C@@H](O)c1ccccc1Br.
What is the InChIKey of (1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane?
The InChIKey is UYFAJYFFPLQSHZ-VMESQJNGSA-N. The full InChI is InChI=1S/C8H9BrO.C8H7BrO.2CH4/c2*1-6(10)7-4-2-3-5-8(7)9;;/h2-6,10H,1H3;2-5H,1H3;2*1H4/t6-;;;/m1.../s1.
What are the key properties of (1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane?
(1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane has a molecular weight of 432.20 g/mol, XLogP of 6.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane is sourced from PubChem (CID 161226581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).